1-(2-chloranyl-5-nitro-phenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-veratryl-thiourea Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C16H16ClN3O4S/c1-23-14-6-3-10(7-15(14)24-2)9-18-16(25)19-13-8-11(20(21)22)4-5-12(13)17/h3-8H,9H2,1-2H3,(H2,18,19,25)